Glycoside
GD023232
Name:
NoneFormula:
C25H23O9N2ClSSmiles:
CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(CO[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)nc2)cc1Aglycone:
CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(CO)nc2)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.97 | Num_heavy_atoms: | 37 |
| TPSA: | 176.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD15648
Formula: C19H15O3N2ClS
Smiles:
CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(CO)nc2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.85 | Num_heavy_atoms: | 25 |
| TPSA: | 80.15 | NumAromaticRings: | 3 |
